N-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide
Compound characteristics
| Compound ID: | E239-0464 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}acetamide |
| Molecular Weight: | 528.59 |
| Molecular Formula: | C28 H24 N4 O5 S |
| Smiles: | COc1ccc(cc1)C1CC(c2ccccc2)N(C2=NC(C(CC(Nc3ccc4c(c3)OCO4)=O)S2)=O)N=1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8295 |
| logD: | 4.8293 |
| logSw: | -4.6506 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.632 |
| InChI Key: | NIPUPSVMESGDDN-UHFFFAOYSA-N |